(3R)-1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-keto-ethyl]piperidin-1-ium-3-carboxamide Formula: C18H28N3O4+ MolecularWeight: 350.43262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCNC(=O)C[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCNC(=O)C[NH+]2CCC[C@H](C2)C(=O)N

InChI

InChI=1S/C18H27N3O4/c1-2-24-15-5-7-16(8-6-15)25-11-9-20-17(22)13-21-10-3-4-14(12-21)18(19)23/h5-8,14H,2-4,9-13H2,1H3,(H2,19,23)(H,20,22)/p+1/t14-/m1/s1